4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

C24H27N3O2S — CID 38304679

IUPAC4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)Cc2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17(2)27(3)24(29)20-11-9-19(10-12-20)15-25-22(28)14-21-16-30-23(26-21)13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,25,28)
InChIKeyGZWXJLBGWJFMCV-UHFFFAOYSA-N
MW421.57 g/mol
LogP4.07
Rot. Bonds8

About 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide

4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (PubChem CID 38304679) has the molecular formula C24H27N3O2S and a molecular weight of 421.57 g/mol. Its IUPAC name is 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.

Molecular Properties

Compound Name4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
PubChem CID38304679
Molecular FormulaC24H27N3O2S
Molecular Weight421.57 g/mol
Exact Mass421.18
IUPAC Name4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide
SMILESCC(C)N(C)C(=O)c1ccc(CNC(=O)Cc2csc(Cc3ccccc3)n2)cc1
InChIInChI=1S/C24H27N3O2S/c1-17(2)27(3)24(29)20-11-9-19(10-12-20)15-25-22(28)14-21-16-30-23(26-21)13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,25,28)
InChIKeyGZWXJLBGWJFMCV-UHFFFAOYSA-N
XLogP4.07
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.57
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]propanoic acid
CID 119225580
2-[2-[2-(benzylamino)-2-oxoethyl]-1,3-thiazol-4-yl]acetic acid
CID 9148295
N-(2-aminoethyl)-2-(2-benzyl-1,3-thiazol-4-yl)acetamide
CID 119383166
4-[[[2-[2-(aminomethyl)-1,3-thiazol-4-yl]acetyl]amino]methyl]benzoic acid
CID 110450777
N-[2-(benzylamino)-2-oxoethyl]-2-[2-[(3-chlorophenyl)methyl]-1,3-thiazol-4-yl]acetamide
CID 39822412
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(2R)-2-hydroxy-2-phenylpropyl]acetamide
CID 95769499
N-[(2-benzyl-1,3-thiazol-4-yl)methyl]-2-(3,5-difluorophenyl)acetamide
CID 86284851
2-(2-benzyl-1,3-thiazol-4-yl)-N-([1,2,4]triazolo[4,3-a]pyridin-3-ylmethyl)acetamide
CID 39933181
2-(2-amino-1,3-thiazol-4-yl)-N-benzylacetamide
CID 39733641
2-[2-[(4-fluorophenyl)methyl]-1,3-thiazol-4-yl]-N-(2-hydroxypropyl)acetamide
CID 110907848
N'-[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]-4-ethoxybenzohydrazide
CID 38710487
2-(2-benzyl-1,3-thiazol-4-yl)-N-[(5-phenyl-1,3-oxazol-2-yl)methyl]acetamide
CID 86991374

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The IUPAC name of 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide (CID 38304679) is 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide.
What is the SMILES notation for 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The canonical SMILES for 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is CC(C)N(C)C(=O)c1ccc(CNC(=O)Cc2csc(Cc3ccccc3)n2)cc1.
What is the InChIKey of 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
The InChIKey is GZWXJLBGWJFMCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O2S/c1-17(2)27(3)24(29)20-11-9-19(10-12-20)15-25-22(28)14-21-16-30-23(26-21)13-18-7-5-4-6-8-18/h4-12,16-17H,13-15H2,1-3H3,(H,25,28).
What are the key properties of 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide?
4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide has a molecular weight of 421.57 g/mol, XLogP of 4.07, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-(2-benzyl-1,3-thiazol-4-yl)acetyl]amino]methyl]-N-methyl-N-propan-2-ylbenzamide is sourced from PubChem (CID 38304679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).